5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine

C14H17Cl2N3 — CID 53302869

IUPAC5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine
SMILESCCCCCNc1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C14H17Cl2N3/c1-2-3-4-7-17-14-18-9-13(19-14)10-5-6-11(15)12(16)8-10/h5-6,8-9H,2-4,7H2,1H3,(H2,17,18,19)
InChIKeyRQQPRXQCRCOQRP-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.99
Rot. Bonds6

About 5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine

5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine (PubChem CID 53302869) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine
PubChem CID53302869
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine
SMILESCCCCCNc1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C14H17Cl2N3/c1-2-3-4-7-17-14-18-9-13(19-14)10-5-6-11(15)12(16)8-10/h5-6,8-9H,2-4,7H2,1H3,(H2,17,18,19)
InChIKeyRQQPRXQCRCOQRP-UHFFFAOYSA-N
XLogP4.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine (CID 53302869) is 5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine is CCCCCNc1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine?
The InChIKey is RQQPRXQCRCOQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-2-3-4-7-17-14-18-9-13(19-14)10-5-6-11(15)12(16)8-10/h5-6,8-9H,2-4,7H2,1H3,(H2,17,18,19).
What are the key properties of 5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine?
5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine has a molecular weight of 298.22 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine is sourced from PubChem (CID 53302869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).